1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide

C16H21N3O — CID 19279641

IUPAC1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1cc(C)n(C)n1)c1ccc(C)cc1
InChIInChI=1S/C16H21N3O/c1-5-14(13-8-6-11(2)7-9-13)17-16(20)15-10-12(3)19(4)18-15/h6-10,14H,5H2,1-4H3,(H,17,20)
InChIKeyZWSYFPKRGDRIGG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.92
Rot. Bonds4

About 1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide

1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide (PubChem CID 19279641) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
PubChem CID19279641
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1cc(C)n(C)n1)c1ccc(C)cc1
InChIInChI=1S/C16H21N3O/c1-5-14(13-8-6-11(2)7-9-13)17-16(20)15-10-12(3)19(4)18-15/h6-10,14H,5H2,1-4H3,(H,17,20)
InChIKeyZWSYFPKRGDRIGG-UHFFFAOYSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 78777843
1-methyl-N-[(1S)-1-(4-methylphenyl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 35529711
6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4867883
N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide
CID 131929450
(3S)-3-(4-chlorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 120531564
1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide
CID 19280747
1-methyl-5-[1-(4-methylphenyl)propylcarbamoyl]pyrazole-4-carboxylic acid
CID 19494192
N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264563
N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 130485661
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119366410
1-[(2,5-dimethylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19272828

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide (CID 19279641) is 1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide is CCC(NC(=O)c1cc(C)n(C)n1)c1ccc(C)cc1.
What is the InChIKey of 1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide?
The InChIKey is ZWSYFPKRGDRIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-14(13-8-6-11(2)7-9-13)17-16(20)15-10-12(3)19(4)18-15/h6-10,14H,5H2,1-4H3,(H,17,20).
What are the key properties of 1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19279641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).